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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Cat Cat	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-1179.67043638; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1502.341162; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Epoxyhexane Epoxyhexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-311.035464273; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Epoxyhexane/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-311.0392238; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Iodide/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-11.5735193; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-11.4797038944; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1502.27000615; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G**	-1690.88091830; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS3/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9310675; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/TS2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1690.9355026; Eh

Results 21261-21270 of 104508 (Search time: 0.014 seconds).